Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 7/20 | 0.70 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.70 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.70 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.70 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | PKM | P14618 | 1/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.70 |
| ▸ | THPO | P40225 | 1/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.70 |
| ▸ | ESR1 | P03372 | 1/20 | 0.70 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.70 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.70 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.70 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Temiverine SCHEMBL120687 | 1.00 | CHRM2 (0.70) | CHRM2CHRM1CHRM4CHRM3KCNH2 | |
| Temiverine SCHEMBL332032 | 0.99 | MEN1 (0.71) | CHRM2CHRM1CHRM4CHRM3KCNH2 | |
| Temiverine SCHEMBL6816326 | 0.99 | CHRM2 (0.69) | CHRM2CHRM1CHRM4CHRM3KCNH2 | |
| Temiverine SCHEMBL1650105 | 0.98 | CHRM2 (0.68) | CHRM2CHRM1CHRM4CHRM3KCNH2 | |
| Temiverine SCHEMBL5592324 | 0.98 | MEN1 (0.70) | CHRM2CHRM1CHRM4CHRM3KCNH2 | |
| Hydrochloric Acid SCHEMBL9878351 | 0.98 | MEN1 (0.69) | CHRM2CHRM1CHRM4CHRM3KCNH2 | |
| Hydrochloric Acid SCHEMBL9878913 | 0.90 | POLB (0.61) | CHRM2CHRM1CHRM4CHRM3KCNH2 | |
| Hydrochloric Acid SCHEMBL9878732 | 0.89 | POLB (0.59) | CHRM2CHRM1CHRM4CHRM3KCNH2 | |
| SCHEMBL7274104 | 0.87 | CHRM2 (0.54) | CHRM2CHRM1CHRM4CHRM3KCNH2 | |
| SCHEMBL9618325 | 0.85 | POLB (0.54) | CHRM2CHRM1CHRM4CHRM3KCNH2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8793078-B2 | Method for predicting activation energy using atomic fingerprint descriptor or atomic descriptor | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2014-07-29 | — | — | US | disclosed |
| US-20120084012-A1 | METHOD FOR PREDICTING ACTIVATION ENERGY USING ATOMIC FINGERPRINT DESCRIPTOR OR ATOMIC DESCRIPTOR | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2012-04-05 | — | — | US | disclosed |
| US-20110213558-A1 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2011-09-01 | — | — | US | disclosed |
| EP-2354987-A2 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | Bioinformatics&Molecular Design Research Center (KR) | 2011-08-10 | — | — | EP | disclosed |